null CDK 0225161901 null 25 27 0 0 0 0 0 0 0 0999 V2000 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -2.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -2.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -3.7445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -3.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5315 -4.4120 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -2.9599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 -4.4120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 -4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4824 -3.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 -4.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4522 -4.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9372 -5.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 -6.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 -6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2962 -5.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 9 7 1 4 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 10 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 M END > CHEBI:116610 > N-[5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-pyridinecarboxamide > 2 > C17H13N3O3S2 > 371.436 > 371.03983 > 0 > COC1=CC=CC(=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3 > InChI=1S/C17H13N3O3S2/c1-23-13-4-2-3-11(9-13)10-14-16(22)20(17(24)25-14)19-15(21)12-5-7-18-8-6-12/h2-10H,1H3,(H,19,21) > XETCJQBQFLVMQJ-UHFFFAOYSA-N > LSM-28065 $$$$